4-[(3-chloranyl-4-methyl-phenyl)amino]-4-oxidanylidene-2-(pentylamino)butanoic acid

Systemtic Name: 4-[(3-chloranyl-4-methyl-phenyl)amino]-4-oxidanylidene-2-(pentylamino)butanoic acid Openeye Name: 4-(3-chloro-4-methyl-anilino)-4-oxo-2-(pentylamino)butanoic acid CAS Name: 4-(3-chloro-4-methylanilino)-4-oxo-2-(pentylamino)butanoic acid IUPAC Name: 4-(3-chloro-4-methylanilino)-4-oxo-2-(pentylamino)butanoic acid Traditional Name: 2-(amylamino)-4-(3-chloro-4-methyl-anilino)-4-keto-butyric acid Formula: C16H23ClN2O3 MolecularWeight: 326.81842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(CC(=O)NC1=CC(=C(C=C1)C)Cl)C(=O)O

Isomeric SMILES

CCCCCNC(CC(=O)NC1=CC(=C(C=C1)C)Cl)C(=O)O

InChI

InChI=1S/C16H23ClN2O3/c1-3-4-5-8-18-14(16(21)22)10-15(20)19-12-7-6-11(2)13(17)9-12/h6-7,9,14,18H,3-5,8,10H2,1-2H3,(H,19,20)(H,21,22)